data_LACS ################################# # LACS Output Information # ################################# ############################################################ # LACS Designator Definition # # # # Index Value Definition # # # # 0 Outliers # # 1 Normal points # # # ############################################################ save_LACS_CACB_CA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16628_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.77 _LACS_plot.Line_1_terminator_val_y_1 -2.69 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.72 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.37 _LACS_plot.Line_2_terminator_val_x_2 6.19 _LACS_plot.Line_2_terminator_val_y_2 4.72 _LACS_plot.Y_axis_chem_shift_offset -0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 23 PHE -1.73 -2.61 0 60 PHE -5.57 -1.05 0 64 GLU -4.98 -0.60 0 86 MET 4.21 0.78 0 106 LEU -6.77 -1.81 0 10 PHE 4.68 4.66 1 11 VAL 5.48 4.17 1 12 ARG 4.22 3.04 1 13 ASN 4.21 2.37 1 14 TRP 4.58 3.25 1 15 GLN 4.19 3.24 1 16 LEU 3.32 3.05 1 17 VAL 5.03 3.63 1 18 ALA 2.65 1.28 1 19 ALA -0.90 -0.46 1 20 VAL 1.51 0.68 1 22 LEU 2.01 1.72 1 24 GLN 3.18 2.86 1 25 LYS 1.66 0.33 1 26 LEU -0.20 -0.22 1 29 ALA 3.60 2.59 1 30 VAL 3.90 2.75 1 31 LEU 4.23 3.30 1 32 VAL 6.20 5.00 1 33 GLU 2.58 1.88 1 34 ILE 5.94 4.43 1 35 VAL 6.08 4.21 1 36 ARG 3.31 3.04 1 37 ALA -0.21 -0.33 1 38 LEU 0.10 0.42 1 39 ARG -2.82 -1.81 1 40 ALA -2.85 -0.60 1 41 ARG -3.58 0.19 1 42 THR -0.97 -0.22 1 43 VAL -3.13 -1.61 1 45 ALA 1.83 1.20 1 47 ALA -0.65 -0.21 1 48 VAL 2.16 1.56 1 49 ILE 1.72 2.41 1 51 ARG -3.80 -1.39 1 52 ILE 2.22 1.71 1 54 GLU 0.80 0.64 1 57 ASP -1.80 -1.33 1 58 ARG -2.47 -1.60 1 59 MET -3.51 -1.61 1 61 PHE -3.67 -1.70 1 62 VAL 2.26 1.20 1 63 VAL 2.39 2.15 1 66 SER -4.22 -1.92 1 67 VAL -4.50 -3.53 1 68 SER -1.97 -1.69 1 69 VAL 0.23 -0.55 1 70 ALA 1.91 -0.42 1 71 THR 4.03 1.15 1 73 ASN -0.75 -0.90 1 75 VAL -5.14 -1.80 1 76 GLU -4.10 -2.08 1 77 LEU -3.09 -1.78 1 81 ALA -3.90 -0.61 1 82 PHE -6.20 -3.06 1 83 PHE -0.54 -0.94 1 85 GLU 4.73 2.96 1 87 ALA 2.04 2.10 1 88 LEU 2.50 1.27 1 89 ILE 0.17 0.93 1 90 SER -2.58 -0.65 1 92 GLU 0.39 0.88 1 94 ARG 0.22 -0.48 1 95 SER 0.39 0.63 1 96 ALA -4.50 -1.00 1 97 THR 0.22 0.21 1 98 VAL -2.01 -1.23 1 99 SER -4.32 -1.96 1 100 ALA 0.10 0.36 1 101 ALA 1.97 1.65 1 102 THR -3.28 -2.22 1 103 THR 4.63 3.61 1 104 VAL -5.71 -2.30 1 105 SER -1.40 -1.13 1 107 LEU -5.45 -1.72 1 108 SER -5.29 -2.20 1 109 LEU -5.10 -2.55 1 112 ALA 3.80 3.12 1 113 ASP 3.04 2.90 1 114 PHE 3.71 3.98 1 115 GLN 4.97 3.40 1 116 MET 4.17 3.21 1 117 LEU 3.36 2.49 1 119 SER 3.30 2.61 1 120 SER 1.15 1.24 1 121 SER -1.59 -1.05 1 123 GLU 3.70 2.66 1 124 ILE 4.62 3.57 1 125 ALA 3.89 3.15 1 126 GLU 2.57 2.30 1 127 ILE 3.94 3.40 1 128 PHE 3.81 3.91 1 129 ARG 4.12 3.74 1 130 LYS 3.65 3.25 1 131 THR 4.98 3.95 1 132 ALA 3.21 2.40 1 133 LEU 2.59 1.96 1 134 GLU 1.76 1.63 1 135 ARG 1.59 0.94 1 136 ARG 1.36 1.13 1 138 ALA -0.16 0.07 1 139 ALA -0.04 0.08 1 140 ALA -0.07 0.04 1 141 SER -0.44 -0.09 1 142 ALA 0.19 1.48 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16628_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.77 _LACS_plot.Line_1_terminator_val_y_1 4.08 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.28 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.63 _LACS_plot.Line_2_terminator_val_x_2 6.19 _LACS_plot.Line_2_terminator_val_y_2 -1.47 _LACS_plot.Y_axis_chem_shift_offset -0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 23 PHE -1.73 -0.88 0 60 PHE -5.57 4.52 0 64 GLU -4.98 4.38 0 86 MET 4.21 -3.43 0 106 LEU -6.77 4.96 0 10 PHE 4.68 -0.02 1 11 VAL 5.48 -1.31 1 12 ARG 4.22 -1.18 1 13 ASN 4.21 -1.84 1 14 TRP 4.58 -1.33 1 15 GLN 4.19 -0.95 1 16 LEU 3.32 -0.27 1 17 VAL 5.03 -1.40 1 18 ALA 2.65 -1.37 1 19 ALA -0.90 0.44 1 20 VAL 1.51 -0.83 1 22 LEU 2.01 -0.29 1 24 GLN 3.18 -0.32 1 25 LYS 1.66 -1.33 1 26 LEU -0.20 -0.02 1 29 ALA 3.60 -1.01 1 30 VAL 3.90 -1.15 1 31 LEU 4.23 -0.93 1 32 VAL 6.20 -1.20 1 33 GLU 2.58 -0.70 1 34 ILE 5.94 -1.51 1 35 VAL 6.08 -1.87 1 36 ARG 3.31 -0.27 1 37 ALA -0.21 -0.12 1 38 LEU 0.10 0.32 1 39 ARG -2.82 1.01 1 40 ALA -2.85 2.25 1 41 ARG -3.58 3.77 1 42 THR -0.97 0.75 1 43 VAL -3.13 1.52 1 45 ALA 1.83 -0.63 1 47 ALA -0.65 0.44 1 48 VAL 2.16 -0.60 1 49 ILE 1.72 0.69 1 51 ARG -3.80 2.41 1 52 ILE 2.22 -0.51 1 54 GLU 0.80 -0.16 1 57 ASP -1.80 0.47 1 58 ARG -2.47 0.87 1 59 MET -3.51 1.90 1 61 PHE -3.67 1.97 1 62 VAL 2.26 -1.06 1 63 VAL 2.39 -0.24 1 66 SER -4.22 2.30 1 67 VAL -4.50 0.97 1 68 SER -1.97 0.28 1 69 VAL 0.23 -0.78 1 70 ALA 1.91 -2.33 1 71 THR 4.03 -2.88 1 73 ASN -0.75 -0.15 1 75 VAL -5.14 3.34 1 76 GLU -4.10 2.02 1 77 LEU -3.09 1.31 1 81 ALA -3.90 3.29 1 82 PHE -6.20 3.14 1 83 PHE -0.54 -0.40 1 85 GLU 4.73 -1.77 1 87 ALA 2.04 0.06 1 88 LEU 2.50 -1.23 1 89 ILE 0.17 0.76 1 90 SER -2.58 1.93 1 92 GLU 0.39 0.49 1 94 ARG 0.22 -0.70 1 95 SER 0.39 0.24 1 96 ALA -4.50 3.50 1 97 THR 0.22 -0.01 1 98 VAL -2.01 0.78 1 99 SER -4.32 2.36 1 100 ALA 0.10 0.26 1 101 ALA 1.97 -0.32 1 102 THR -3.28 1.06 1 103 THR 4.63 -1.02 1 104 VAL -5.71 3.41 1 105 SER -1.40 0.27 1 107 LEU -5.45 3.73 1 108 SER -5.29 3.09 1 109 LEU -5.10 2.55 1 112 ALA 3.80 -0.68 1 113 ASP 3.04 -0.14 1 114 PHE 3.71 0.27 1 115 GLN 4.97 -1.57 1 116 MET 4.17 -0.96 1 117 LEU 3.36 -0.87 1 119 SER 3.30 -0.69 1 120 SER 1.15 0.09 1 121 SER -1.59 0.54 1 123 GLU 3.70 -1.04 1 124 ILE 4.62 -1.05 1 125 ALA 3.89 -0.74 1 126 GLU 2.57 -0.27 1 127 ILE 3.94 -0.54 1 128 PHE 3.81 0.10 1 129 ARG 4.12 -0.38 1 130 LYS 3.65 -0.40 1 131 THR 4.98 -1.03 1 132 ALA 3.21 -0.81 1 133 LEU 2.59 -0.63 1 134 GLU 1.76 -0.13 1 135 ARG 1.59 -0.65 1 136 ARG 1.36 -0.23 1 138 ALA -0.16 0.23 1 139 ALA -0.04 0.12 1 140 ALA -0.07 0.11 1 141 SER -0.44 0.35 1 142 ALA 0.19 1.29 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16628_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.77 _LACS_plot.Line_1_terminator_val_y_1 0.87 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.19 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.28 _LACS_plot.Line_2_terminator_val_x_2 6.19 _LACS_plot.Line_2_terminator_val_y_2 -0.68 _LACS_plot.Y_axis_chem_shift_offset -0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 45 ALA 1.83 -0.94 0 103 THR 4.63 0.24 0 42 THR -0.97 1.04 0 10 PHE 4.68 -0.61 1 11 VAL 5.48 -0.60 1 12 ARG 4.22 -0.34 1 13 ASN 4.21 -0.63 1 14 TRP 4.58 -1.02 1 15 GLN 4.19 -0.58 1 16 LEU 3.32 -0.26 1 17 VAL 5.03 -0.73 1 18 ALA 2.65 -0.65 1 19 ALA -0.90 -0.05 1 20 VAL 1.51 -0.41 1 22 LEU 2.01 -0.64 1 23 PHE -1.73 0.14 1 24 GLN 3.18 -0.29 1 25 LYS 1.66 -0.09 1 26 LEU -0.20 -0.04 1 29 ALA 3.60 -0.19 1 30 VAL 3.90 -0.34 1 31 LEU 4.23 -0.70 1 32 VAL 6.20 -0.49 1 33 GLU 2.58 -0.28 1 34 ILE 5.94 -0.80 1 35 VAL 6.08 -0.92 1 36 ARG 3.31 -0.29 1 37 ALA -0.21 0.02 1 38 LEU 0.10 0.23 1 39 ARG -2.82 0.42 1 40 ALA -2.85 0.91 1 41 ARG -3.58 0.30 1 43 VAL -3.13 0.25 1 47 ALA -0.65 -0.04 1 48 VAL 2.16 -0.36 1 49 ILE 1.72 -0.42 1 51 ARG -3.80 0.40 1 52 ILE 2.22 -0.93 1 54 GLU 0.80 -0.02 1 57 ASP -1.80 -0.06 1 58 ARG -2.47 0.45 1 59 MET -3.51 0.14 1 60 PHE -5.57 0.70 1 61 PHE -3.67 0.51 1 62 VAL 2.26 -0.12 1 63 VAL 2.39 -0.03 1 64 GLU -4.98 0.12 1 66 SER -4.22 0.99 1 67 VAL -4.50 0.74 1 68 SER -1.97 0.45 1 69 VAL 0.23 0.01 1 70 ALA 1.91 0.25 1 71 THR 4.03 -0.15 1 73 ASN -0.75 0.16 1 75 VAL -5.14 0.31 1 76 GLU -4.10 0.93 1 77 LEU -3.09 0.30 1 81 ALA -3.90 0.19 1 82 PHE -6.20 0.96 1 83 PHE -0.54 0.50 1 85 GLU 4.73 -0.21 1 86 MET 4.21 -0.02 1 87 ALA 2.04 -0.24 1 88 LEU 2.50 -0.46 1 89 ILE 0.17 -0.02 1 90 SER -2.58 0.25 1 92 GLU 0.39 -0.27 1 94 ARG 0.22 0.26 1 95 SER 0.39 -0.12 1 96 ALA -4.50 0.19 1 97 THR 0.22 0.19 1 98 VAL -2.01 0.78 1 99 SER -4.32 0.72 1 100 ALA 0.10 -0.01 1 101 ALA 1.97 -0.01 1 102 THR -3.28 0.15 1 104 VAL -5.71 0.95 1 105 SER -1.40 0.63 1 106 LEU -6.77 1.24 1 107 LEU -5.45 1.20 1 108 SER -5.29 1.07 1 109 LEU -5.10 0.58 1 112 ALA 3.80 -0.16 1 113 ASP 3.04 -0.07 1 114 PHE 3.71 -0.53 1 115 GLN 4.97 -0.61 1 116 MET 4.17 -0.31 1 117 LEU 3.36 -0.27 1 119 SER 3.30 -0.33 1 120 SER 1.15 -0.02 1 121 SER -1.59 0.21 1 123 GLU 3.70 -0.19 1 124 ILE 4.62 -0.42 1 125 ALA 3.89 -0.25 1 126 GLU 2.57 -0.17 1 127 ILE 3.94 -0.37 1 128 PHE 3.81 -0.48 1 129 ARG 4.12 -0.45 1 130 LYS 3.65 -0.34 1 131 THR 4.98 -0.40 1 132 ALA 3.21 -0.46 1 133 LEU 2.59 -0.25 1 134 GLU 1.76 -0.26 1 135 ARG 1.59 -0.12 1 136 ARG 1.36 -0.09 1 138 ALA -0.16 -0.03 1 139 ALA -0.04 -0.04 1 140 ALA -0.07 -0.05 1 141 SER -0.44 -0.07 1 142 ALA 0.19 -0.21 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16628_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.77 _LACS_plot.Line_1_terminator_val_y_1 -2.77 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.63 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.99 _LACS_plot.Line_2_terminator_val_x_2 6.19 _LACS_plot.Line_2_terminator_val_y_2 2.25 _LACS_plot.Y_axis_chem_shift_offset 0.17 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 94 ARG 0.22 4.61 0 11 VAL 5.48 3.17 1 12 ARG 4.22 2.64 1 13 ASN 4.21 1.20 1 14 TRP 4.58 0.92 1 15 GLN 4.19 2.75 1 16 LEU 3.32 1.25 1 17 VAL 5.03 1.04 1 18 ALA 2.65 -0.17 1 19 ALA -0.90 0.14 1 22 LEU 2.01 -1.86 1 23 PHE -1.73 1.26 1 24 GLN 3.18 0.71 1 25 LYS 1.66 -0.03 1 26 LEU -0.20 -0.54 1 29 ALA 3.60 2.48 1 32 VAL 6.20 0.73 1 33 GLU 2.58 2.88 1 34 ILE 5.94 0.18 1 36 ARG 3.31 0.33 1 37 ALA -0.21 -0.30 1 38 LEU 0.10 0.19 1 39 ARG -2.82 -0.63 1 40 ALA -2.85 -0.23 1 41 ARG -3.58 -2.34 1 42 THR -0.97 -0.56 1 45 ALA 1.83 0.88 1 47 ALA -0.65 -0.92 1 48 VAL 2.16 -0.04 1 49 ILE 1.72 -0.51 1 51 ARG -3.80 -1.53 1 52 ILE 2.22 -1.43 1 58 ARG -2.47 -3.35 1 59 MET -3.51 -3.86 1 60 PHE -5.57 -2.39 1 61 PHE -3.67 -0.31 1 62 VAL 2.26 -1.06 1 63 VAL 2.39 -0.45 1 64 GLU -4.98 -2.50 1 66 SER -4.22 -0.39 1 67 VAL -4.50 -2.52 1 68 SER -1.97 -1.07 1 69 VAL 0.23 -0.16 1 70 ALA 1.91 1.28 1 75 VAL -5.14 -2.57 1 76 GLU -4.10 -0.79 1 77 LEU -3.09 -2.11 1 81 ALA -3.90 -2.43 1 82 PHE -6.20 -2.25 1 83 PHE -0.54 -1.54 1 85 GLU 4.73 0.89 1 86 MET 4.21 2.84 1 87 ALA 2.04 0.78 1 88 LEU 2.50 -0.76 1 89 ILE 0.17 -0.66 1 90 SER -2.58 0.55 1 96 ALA -4.50 -2.49 1 97 THR 0.22 -1.44 1 98 VAL -2.01 -1.22 1 99 SER -4.32 -2.27 1 100 ALA 0.10 -0.30 1 101 ALA 1.97 0.01 1 102 THR -3.28 -1.06 1 103 THR 4.63 1.93 1 104 VAL -5.71 -2.08 1 105 SER -1.40 -1.48 1 106 LEU -6.77 -0.05 1 107 LEU -5.45 -1.27 1 108 SER -5.29 -1.95 1 113 ASP 3.04 1.80 1 114 PHE 3.71 1.25 1 115 GLN 4.97 2.97 1 116 MET 4.17 2.91 1 117 LEU 3.36 1.43 1 119 SER 3.30 0.75 1 120 SER 1.15 -0.17 1 124 ILE 4.62 1.01 1 125 ALA 3.89 2.27 1 126 GLU 2.57 1.98 1 127 ILE 3.94 2.60 1 128 PHE 3.81 0.97 1 129 ARG 4.12 1.78 1 130 LYS 3.65 2.39 1 131 THR 4.98 1.34 1 132 ALA 3.21 1.87 1 133 LEU 2.59 1.74 1 134 GLU 1.76 1.47 1 135 ARG 1.59 0.78 1 136 ARG 1.36 0.97 1 140 ALA -0.07 -0.22 1 141 SER -0.44 -1.41 1 stop_ save_